[gmx-users] pme note
Mark.Abraham at anu.edu.au
Wed Mar 14 02:01:42 CET 2012
On 14/03/2012 11:44 AM, ahmet yıldırım wrote:
> Dear users,
> I get the following note:
> The optimal PME mesh load for parallel simulations is below 0.5
> and for highly parallel simulations between 0.25 and 0.33,
> for higher performance, increase the cut-off and the PME grid spacing
> What should I do?
> Thanks in advance
See manual 3.17.5 for starters.
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